
 CHEMBL3601377

 57 59  0  0  0  0  0  0  0  0999 V2000
    3.0035   -0.9431    2.0519 C   0  0  0  0  0
    4.0229   -0.5075    1.0311 C   0  0  0  0  0
    3.9332    0.7076    0.3103 C   0  0  0  0  0
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    7.2825   -1.9928   -0.3691 C   0  0  0  0  0
    6.9291   -3.3558   -0.8020 N   0  0  0  0  0
    6.2732   -3.3563   -2.1122 C   0  0  0  0  0
    8.1410   -4.1785   -0.8588 C   0  0  0  0  0
    2.8360    1.7168    0.5736 C   0  0  0  0  0
    1.9125    1.4383    1.3400 O   0  0  0  0  0
    2.8810    3.0629   -0.1590 C   0  0  0  0  0
    2.2462    4.1050    0.6374 N   0  0  0  0  0
    0.8755    4.2899    0.5546 C   0  0  0  0  0
    0.1300    3.7085   -0.2314 O   0  0  0  0  0
    0.2915    5.2659    1.4990 C   0  0  0  0  0
    1.0637    5.9864    2.3222 C   0  0  0  0  0
    2.5170    5.7522    2.1824 C   0  0  0  0  0
    3.0830    4.8724    1.4222 N   0  0  0  0  0
    0.6708    6.8979    3.2764 O   0  0  0  0  0
   -0.7281    6.9446    3.5671 C   0  0  0  0  0
   -1.0180    8.0095    4.5988 C   0  0  0  0  0
   -1.5637    9.1672    4.1520 N   0  0  0  0  0
   -1.8827   10.1011    5.0800 C   0  0  0  0  0
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   -0.7634    7.7823    5.9507 C   0  0  0  0  0
   -2.1154   10.9752    7.2394 O   0  0  0  0  0
   -2.4899   10.6234    8.5670 C   0  0  0  0  0
    2.0276   -1.0875    1.5770 H   0  0  0  0  0
    2.9296   -0.2159    2.8658 H   0  0  0  0  0
    3.2772   -1.9004    2.5098 H   0  0  0  0  0
    4.8756    1.8647   -1.2901 H   0  0  0  0  0
    6.7197    0.3603   -1.6436 H   0  0  0  0  0
    5.1851   -2.3154    1.3382 H   0  0  0  0  0
    7.8120   -2.0397    0.5926 H   0  0  0  0  0
    7.9842   -1.5360   -1.0803 H   0  0  0  0  0
    5.3044   -2.8476   -2.0712 H   0  0  0  0  0
    6.0615   -4.3824   -2.4343 H   0  0  0  0  0
    6.8867   -2.8757   -2.8829 H   0  0  0  0  0
    8.6224   -4.2269    0.1244 H   0  0  0  0  0
    8.8704   -3.7904   -1.5799 H   0  0  0  0  0
    7.8968   -5.2092   -1.1387 H   0  0  0  0  0
    2.3631    2.9519   -1.1174 H   0  0  0  0  0
    3.9065    3.3949   -0.3341 H   0  0  0  0  0
   -0.7864    5.3300    1.4642 H   0  0  0  0  0
    3.1585    6.3950    2.8081 H   0  0  0  0  0
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   -1.2978    7.1819    2.6608 H   0  0  0  0  0
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   -0.9191    8.5771    7.9331 H   0  0  0  0  0
   -0.3055    6.8548    6.2811 H   0  0  0  0  0
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   -1.6135   10.3646    9.1686 H   0  0  0  0  0
   -3.2250    9.8108    8.5711 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 43  1  0  0  0
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 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
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 15 16  1  0  0  0
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 16 17  2  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
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 31 56  1  0  0  0
 31 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3601377

>  <PubChem CID>
71714121

>  <Formula>
C23H26N4O4

>  <Molecular Weight>
422.485000

>  <IUPAC Name>
2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxypyridin-2-yl)methoxy]pyridazin-3-one

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)CN(C)C)C(=O)CN2C(=O)C=C(C=N2)OCC3=NC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)CN(C)C)C(=O)CN2C(=O)C=C(C=N2)OCC3=NC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3

>  <InChI Key>
ACBKFGPDANWBLT-UHFFFAOYSA-N

